BDBM50055925 CHEMBL3321939::US9884814, Compound 99

SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(OC)c(OC)cc2Br)ccc1F

InChI Key InChIKey=ASRZOKKKEGIGOW-JOCHJYFZSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50055925   

TargetCathepsin D(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50055925(CHEMBL3321939 | US9884814, Compound 99)
Affinity DataIC50:  8.60nMAssay Description:Inhibition of human liver cathepsin D using MCA-labeled GKPILFFRLK(Dnp)-D-R-NH2 peptide by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50055925(CHEMBL3321939 | US9884814, Compound 99)
Affinity DataIC50:  8.60nMpH: 5.5 T: 2°CAssay Description:In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCathepsin D(Bos taurus)
Merck

Curated by ChEMBL
LigandPNGBDBM50055925(CHEMBL3321939 | US9884814, Compound 99)
Affinity DataIC50:  900nMAssay Description:Inhibition of cathepsin D in bovine cartilage explants assessed as reduction in sulphated GAGs level after 3 days by spectrophotometric 1,9-dimethylm...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50055925(CHEMBL3321939 | US9884814, Compound 99)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human recombinant renin using quenched Dabcyl-g-Abu-IHPFHLVIHT-Edans peptide substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed